SCHEMBL4622180

SCHEMBL4622180

CCCCCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
ADORA1 P30542 3/20 0.44
ADORA2B P29275 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.41
GPR84 Q9NQS5 4/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9645114 0.96 ADORA2A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9645161 0.90 ADORA2A (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11017311 0.90 ADORA2A (0.51) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3990423 0.89 ADORA1 (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3848060 0.86 ADORA2A (0.57) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9645577 0.86 ADORA2A (0.55) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL538418 0.83 ADORA2A (0.54) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9646522 0.82 KDM4E (0.44) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9645623 0.82 CYP3A4 (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL9644450 0.80 ADORA2A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613784-A1 COMPOSITION AND PROCESS FOR THE SOLVENT EXTRACTION OF METALS USING ALDOXIME OR KETOXIME EXTRACTANTS CYTEC TECHNOLOGY CORP. (US) 2006-01-11 EP claimed
WO-2004094676-A1 COMPOSITION AND PROCESS FOR THE SOLVENT EXTRACTION OF METALS USING ALDOXIME OR KETOXIME EXTRACTANTS CYTEC TECHNOLOGY CORP. (US) 2004-11-04 WO claimed
EP-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed